2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine

C17H18N4OS — CID 170560487

IUPAC2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Nc2nc(CN3CCOCC3)nc3ccsc23)cc1
InChIInChI=1S/C17H18N4OS/c1-2-4-13(5-3-1)18-17-16-14(6-11-23-16)19-15(20-17)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12H2,(H,18,19,20)
InChIKeyFSKJLMBDJJTLGJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.27
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine

2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 170560487) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID170560487
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Nc2nc(CN3CCOCC3)nc3ccsc23)cc1
InChIInChI=1S/C17H18N4OS/c1-2-4-13(5-3-1)18-17-16-14(6-11-23-16)19-15(20-17)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12H2,(H,18,19,20)
InChIKeyFSKJLMBDJJTLGJ-UHFFFAOYSA-N
XLogP3.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
CID 21004213
N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4846737
N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62974588
N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine
CID 21004205
2-N-(4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 142284881
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766
2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid
CID 171775851
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide
CID 21004190
2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16553286

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine (CID 170560487) is 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine is c1ccc(Nc2nc(CN3CCOCC3)nc3ccsc23)cc1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FSKJLMBDJJTLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-4-13(5-3-1)18-17-16-14(6-11-23-16)19-15(20-17)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12H2,(H,18,19,20).
What are the key properties of 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine?
2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 326.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 170560487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).